N-(4-fluorobutyl)-2-phenylmethoxyacetamide

C13H18FNO2 — CID 145404673

IUPACN-(4-fluorobutyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCCCCF
InChIInChI=1S/C13H18FNO2/c14-8-4-5-9-15-13(16)11-17-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)
InChIKeyDXJZBUVYLJZLIV-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.07
Rot. Bonds8

About N-(4-fluorobutyl)-2-phenylmethoxyacetamide

N-(4-fluorobutyl)-2-phenylmethoxyacetamide (PubChem CID 145404673) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(4-fluorobutyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(4-fluorobutyl)-2-phenylmethoxyacetamide
PubChem CID145404673
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-(4-fluorobutyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCCCCF
InChIInChI=1S/C13H18FNO2/c14-8-4-5-9-15-13(16)11-17-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)
InChIKeyDXJZBUVYLJZLIV-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorobutyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(4-fluorobutyl)-2-phenylmethoxyacetamide (CID 145404673) is N-(4-fluorobutyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(4-fluorobutyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(4-fluorobutyl)-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCCCCF.
What is the InChIKey of N-(4-fluorobutyl)-2-phenylmethoxyacetamide?
The InChIKey is DXJZBUVYLJZLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-8-4-5-9-15-13(16)11-17-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16).
What are the key properties of N-(4-fluorobutyl)-2-phenylmethoxyacetamide?
N-(4-fluorobutyl)-2-phenylmethoxyacetamide has a molecular weight of 239.29 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobutyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 145404673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).